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Home Other Building Blocks A 839977

A 839977

CAS No.:
870061-27-1
Catalog Number:
AG00GU0G
Molecular Formula:
C19H14Cl2N6O
Molecular Weight:
413.2601
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
10mg
98%
1 week
United States
$282
- +
50mg
98%
1 week
United States
$973
- +
Product Description
Catalog Number:
AG00GU0G
Chemical Name:
A 839977
CAS Number:
870061-27-1
Molecular Formula:
C19H14Cl2N6O
Molecular Weight:
413.2601
MDL Number:
MFCD19690959
IUPAC Name:
1-(2,3-dichlorophenyl)-N-[(2-pyridin-2-yloxyphenyl)methyl]tetrazol-5-amine
InChI:
InChI=1S/C19H14Cl2N6O/c20-14-7-5-8-15(18(14)21)27-19(24-25-26-27)23-12-13-6-1-2-9-16(13)28-17-10-3-4-11-22-17/h1-11H,12H2,(H,23,24,26)
InChI Key:
GMVNBKZQJFRFAR-UHFFFAOYSA-N
SMILES:
Clc1cccc(c1Cl)n1nnnc1NCc1ccccc1Oc1ccccn1
Properties
Complexity:
489  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
412.061g/mol
Formal Charge:
0
Heavy Atom Count:
28  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
413.262g/mol
Monoisotopic Mass:
412.061g/mol
Rotatable Bond Count:
6  
Topological Polar Surface Area:
77.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.1  
Literature
Title Journal
The antihyperalgesic activity of a selective P2X7 receptor antagonist, A-839977, is lost in IL-1alphabeta knockout mice. Behavioural brain research 20091201
Mammalian P2X7 receptor pharmacology: comparison of recombinant mouse, rat and human P2X7 receptors. British journal of pharmacology 20090801
Discovery of P2X7 receptor-selective antagonists offers new insights into P2X7 receptor function and indicates a role in chronic pain states. British journal of pharmacology 20070701
Properties